SCHEMBL4876037

SCHEMBL4876037

Nc1ncnc(N)c1C#Cc1cccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 16/20 0.62
CYP2C9 P11712 2/20 0.47
SLC22A6 Q4U2R8 2/20 0.47
SLC22A8 Q8TCC7 2/20 0.47
SLC22A11 Q9NSA0 2/20 0.47
CYP3A4 P08684 1/20 0.47
PIK3CA P42336 1/20 0.45
PTPN2 P17706 2/20 0.45
PTPN1 P18031 2/20 0.45
PTPN5 P54829 2/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4876133 0.86 BRAF (0.46) SLC22A12PIK3CAPTPN2PTPN1PTPN5
SCHEMBL4878313 0.84 SLC22A12 (0.46) SLC22A12PIK3CAPTPN2PTPN1PTPN5
SCHEMBL4879404 0.81 TSHR (0.52) PTPN2PTPN1PTPN5
SCHEMBL4875769 0.81 HTR6 (0.53) PIK3CA
SCHEMBL4878244 0.81 SGK1 (0.46) CYP3A4
SCHEMBL14164305 0.81 SLC22A12 (0.55) SLC22A12CYP2C9SLC22A6SLC22A8SLC22A11
SCHEMBL4878331 0.80 KIT (0.46) PIK3CA
SCHEMBL4879656 0.78 L3MBTL1 (0.47)
SCHEMBL4875782 0.78 CA12 (0.48) PIK3CAPTPN2PTPN1PTPN5
SCHEMBL4718548 0.77 AURKB (0.49)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146599-A1 Pyrimidine Compounds Having Tie-2 (Tek) Inhibitory Activity ASTRAZENECA AB (SE) 2008-06-19 US disclosed
CN-101151261-A Pyrimidine compounds having tie2 (TEK) inhibitory activity ASTRAZENECA AB (SE) 2008-03-26 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080146599-A1 Pyrimidine Compounds Having Tie-2 (Tek) Inhibitory Activity TIE1, TEK, KDR SLC22A12 2993/4885CYP2C9 2718/4885SLC22A6 2865/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.